SCHEMBL20161605

SCHEMBL20161605

Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccc(Cl)cc3)cs2)n(C)c1=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.65
▸ THRB P10828 1/20 0.63
▸ PORCN Q9H237 2/20 0.61
▸ MAPT P10636 2/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ RXFP1 Q9HBX9 5/20 0.58
▸ TP53 P04637 2/20 0.58
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TRPA1 O75762 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ RECQL P46063 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19036549 0.91 KMT2A (0.63) POLBTHRBPORCNMAPTKMT2A
SCHEMBL17626254 0.91 PORCN (0.64) POLBTHRBPORCNMAPTKMT2A
SCHEMBL3266103 0.83 MAPT (0.79) POLBTHRBPORCNMAPTKMT2A
SCHEMBL20161981 0.82 RXFP1 (0.72) POLBTHRBPORCNMAPTKMT2A
SCHEMBL10114021 0.82 TRPA1 (0.80) POLBTHRBPORCNKMT2ARXFP1
SCHEMBL15384474 0.81 POLB (0.65) POLBTHRBPORCNMAPTKMT2A
SCHEMBL21935441 0.80 THRB (0.55) POLBTHRBPORCNMAPTKMT2A
SCHEMBL18166637 0.80 HSD17B10 (0.67) POLBTHRBPORCNMAPTKMT2A
SCHEMBL4527599 0.80 POLB (0.62) POLBTHRBPORCNMAPTKMT2A
SCHEMBL15384490 0.79 POLB (0.64) POLBTHRBPORCNMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 POLB 3878/4885THRB 1630/4885PORCN 2223/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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